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GLASS

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GPCR

Name	Delta-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRD1
Synonym	D-OR-1 DOR opioid receptor OP1 DOP DOPr DOR-1 Delta receptor [ Show all ]
Disease	Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS Major depressive disorder Urinary incontinence Rheumatoid arthritis Premature ejaculation Pain Acute migraine Ischemic heart diseases Acute nonspecific diarrhea; Chronic diarrhea associated with inflammatory bowel disease Alcohol use disorders Anxiety disorder [ Show all ]
Length	372
Amino acid sequence	MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProt	P41143
Protein Data Bank	4rwd, 4rwa, 4n6h
GPCR-HGmod model	P41143
3D structure model	This structure is from PDB ID 4rwd.
BioLiP	BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target Database	T58992
ChEMBL	CHEMBL236
IUPHAR	317
DrugBank	BE0000420

Ligand

Name	Cebranopadol
Molecular formula	C24H27FN2O
IUPAC name	6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
Molecular weight	378.491
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	ZINC3950145 BDBM177926 CHEMBL2364605 DB12830 KB-145997 SCHEMBL19336241 AKOS025290738 CHEMBL3962932 GRT 6005/06 NCGC00378895-01 trans-6'-Fluoro-n,N-dimethyl-4-phenyl-4',9''-dihydro-3'h-spiro(cyclohexane-1,1'-pyrano(3,4-b)indol)-4-amine 7GDW9S3GN3 AS-35183 Cebranopadol(GRT-6005) D0R4YE GTPL8866 SCHEMBL14183935 US9120797, 25 (1r,4r)-6'-fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indole]-4-amine A3296 BDBM50101095 CHEMBL3545616 EX-A1095 KS-00000632 SCHEMBL566256 6-Fluoro-N,N-dimethyl-1'-phenyl-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine AKOS025402576 Cebranopadol (USAN/INN) CS-1323 GRT-6005 SB16531 UNII-7GDW9S3GN3 863513-91-1 BCP09612 Centrally-acting nociceptin agonist analgesic (oral liquid, pain/diabetic neuropathy), Grunenthal D10436 HY-15536 SCHEMBL154336 W-6094 (1r,4r)-6'-Fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine AK170452 BDBM50101112 GRT 6005 MolPort-039-063-422 Spiro(cyclohexane-1,1'(3'h)-pyrano(3,4-b)indol)-4-amine, 6'-fluoro-4',9'-dihydro-n,N-dimethyl-4-phenyl-, trans- 6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine AKOS032953927 Cebranopadol [USAN:INN] D03TBJ GRT6005 SCHEMBL10035739 US9120797, 24 [ Show all ]
Inchi Key	CSMVOZKEWSOFER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
PubChem CID	11848225
ChEMBL	CHEMBL3962932
IUPHAR	8866
BindingDB	177926
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	18.0 nM	PMID24713140	IUPHAR

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